SCHEMBL4243249

SCHEMBL4243249

COc1ccc2c(c1)c(C(=O)NC(=N)N)cn2-c1cnnc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
PDE4B Q07343 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1I2 O75469 1/20 0.35
MAP3K5 Q99683 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4244748 0.86 HTR3A (0.35)
SCHEMBL4236291 0.81 KDM4E (0.43) MAPTTP53PDE4BMAPK1NPC1
Trifluoroacetic Acid SCHEMBL4242769 0.80 MALT1 (0.34) KDM4EHTTL3MBTL1
Hydrochloric Acid SCHEMBL4240482 0.80 KDM4E (0.42) MAPTTP53PDE4BMAPK1NPC1
SCHEMBL4245893 0.79 MET (0.41) TP53CYP2C19MAP3K5KDM4ECDK2
SCHEMBL4244704 0.79 KDM4E (0.47) TP53PDE4BMAPK1MTNR1AMTNR1B
SCHEMBL4060477 0.79 ELANE (0.41) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL4243243 0.78 MET (0.40) TP53CYP2C19MAP3K5KDM4ECDK2
Hydrochloric Acid SCHEMBL4242334 0.78 KDM4E (0.47) TP53PDE4BMAPK1MTNR1AMTNR1B
SCHEMBL4239878 0.74 NR4A2 (0.59) MAPTPOLBTSHRSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US claimed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US claimed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C HSP90AA1 2007/4885MAPT 1403/4885TP53 1781/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.